5-(Diphenylacetyl)-4-(4-Methoxy-3-Methylbenzyl)-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridine-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C30H30N3O4
IUPAC Name (4s,6r)-5-(2,2-diphenylacetyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-7a-ide-6-carboxylic acid
Molecular Mass 496.577 g·mol−1
Heat of Formation -300.0 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 586.91 Å 3
Surface Area 464.46 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
InChIKey UKTWVUDMCNZPTF-JWQCQUIFSA-N
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